Geometry & MOs

Info

ID:	425738
PubChem CID:	135127697
Reduced:	ON6C15H18 (1)
Stoich.:	AB6C15D18 (1)
Weight, g/mol:	470.22418
ΔH_f, kcal/mol:	86.43
Dipole, Da:	6.02
IP(EA), eV:	-8.77(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-difluorocyclohepta-1,3,5-trien-1-yl)-1-[4-[(4-ethylphenoxy)methyl]triazol-1-yl]-3-(2-methyl-3H-1,2,4-triazol-1-yl)propan-2-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCC2=CN(N=N2)CCCN3C=NC=N3

DOS

IR

Vibrations